Geometry & MOs

Info

ID:	174350
PubChem CID:	75757187
Reduced:	N3O7C28H30 (1)
Stoich.:	A3B7C28D30 (1)
Weight, g/mol:	521.2162
ΔH_f, kcal/mol:	-102.37
Dipole, Da:	22.1
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.795484
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(cyclohexylamino)-1-(3-methoxyphenyl)-2-oxoethyl]-2-hydroxy-N-[(5-methylfuran-2-yl)methyl]-5-nitrobenzamide

Drug info:

PubChemData

Smile

CC1=CC=C(O1)CN(C(C2=CC(=CC=C2)OC)C(=O)NC3CCCCC3)C(=O)C4=C(C=CC(=C4)[N+](=O)[O-])[O-]

DOS

IR

Vibrations